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Molecule
1-(4-Biphenylyl)Ethanol
CAS: 3562-73-0 · C14H14O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3562-73-0
- Molecular Formula
- C14H14O
- Molecular Mass
- 198.27 g/mol
Identifiers
CAS Registry Number
3562-73-0
SMILES
CC(O)c1ccc(-c2ccccc2)cc1
InChI Key
GOISDOCZKZYADO-UHFFFAOYSA-N
InChI
InChI=1S/C14H14O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11,15H,1H3
Names and Synonyms
- 1-(4-Biphenylyl)Ethanol Systematic Name
- [1,1′-Biphenyl]-4-methanol, α-methyl- Synonym
- 4-Biphenylmethanol, α-methyl- Synonym
- α-Methyl[1,1′-biphenyl]-4-methanol Synonym
- Diascleril Synonym
- α-Methyl-4-biphenylmethanol Synonym
- Difencol Synonym
- Drucoles Synonym
- 1-(4′-Biphenyl)-1-ethanol Synonym
- 1-(4-Biphenylyl)ethanol Synonym
- (±)-1-(4-Phenylphenyl)ethanol Synonym
- (RS)-1-p-Biphenylethanol Synonym
- 4-(1-Hydroxyethyl)-1,1′-biphenyl Synonym
- (±)-1-(4-Biphenyl)ethanol Synonym
- α-Methyl-p-phenylbenzyl alcohol Synonym
- α-Methyl-1,1′-biphenyl-4-methanol Synonym
- 4-(1-Hydroxyethyl)biphenyl Synonym
- NSC 58063 Synonym
- 1-(p-Biphenyl)ethanol Synonym
- α-Methyl-4-phenylbenzyl alcohol Synonym
- 1-(p-Phenylphenyl)ethanol Synonym
- 1-(4-Phenylphenyl)ethanol Synonym
- 1-(4-Biphenyl)ethanol Synonym
- 1-(4-Biphenylyl)-1-ethanol Synonym
- 1-(4-Phenylphenyl)ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 198.27 g/mol | CAS Common Chemistry |
| 198.26500000000001 g/mol | RDKit | |
| 198.265 g/mol | RDKit | |
| Canonical SMILES | OC(C=1C=CC(=CC1)C=2C=CC=CC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H14O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11,15H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GOISDOCZKZYADO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 90-92 °C | CAS Common Chemistry |
| Name | 1-(4-Biphenylyl)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 3.406900000000002 | RDKit |
| 3.4069 | RDKit | |
| Molar Refractivity | 62.51180000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 198.104465068 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 198.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H14O.
